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Effect of ligand chain length on hydrophobic charge induction chromatography revealed by molecular dynamics simulations

Lin ZHANG, Yan SUN

《化学科学与工程前沿（英文）》 2013年 第7卷 第4期   页码 456-463 doi: 10.1007/s11705-013-1357-y

摘要： Hydrophobic charge induction chromatography (HCIC) is a mixed-mode chromatography which is advantageous for high adsorption capacity and facile elution. The effect of the ligand chain length on protein behavior in HCIC was studied. A coarse-grain adsorbent pore model established in an earlier work was modified to construct adsorbents with different chain lengths, including one with shorter ligands (CL2) and one with longer ligands (CL4). The adsorption, desorption, and conformational transition of the proteins with CL2 and CL4 were examined using molecular dynamics simulations. The ligand chain length has a significant effect on both the probability and the irreversibility of the adsorption/desorption. Longer ligands reduced the energy barrier of adsorption, leading to stronger and more irreversible adsorption, as well as a little more unfolding of the protein. The simulation results elucidated the effect of the ligand chain length, which is beneficial for the rational design of adsorbents and parameter optimization for high-performance HCIC.

关键词： adsorption     desorption     irreversibility     protein conformational transition     molecular dynamics simulation    

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Epithelial-to-mesenchymal transition in cancer: complexity and opportunities

Yun Zhang, Robert A. Weinberg

《医学前沿（英文）》 2018年 第12卷 第4期   页码 361-373 doi: 10.1007/s11684-018-0656-6

摘要：

The cell-biological program termed the epithelial-to-mesenchymal transition (EMT) plays an important role in both development and cancer progression. Depending on the contextual signals and intracellular gene circuits of a particular cell, this program can drive fully epithelial cells to enter into a series of phenotypic states arrayed along the epithelial-mesenchymal phenotypic axis. These cell states display distinctive cellular characteristics, including stemness, invasiveness, drug-resistance and the ability to form metastases at distant organs, and thereby contribute to cancer metastasis and relapse. Currently we still lack a coherent overview of the molecular and biochemical mechanisms inducing cells to enter various states along the epithelial-mesenchymal phenotypic spectrum. An improved understanding of the dynamic and plastic nature of the EMT program has the potential to yield novel therapies targeting this cellular program that may aid in the management of high-grade malignancies.

关键词： epithelial-to-mesenchymal transition     cancer     metastasis     cancer stem cell    

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Phase transition regulation and caloric effect

《能源前沿（英文）》 2023年 第17卷 第4期   页码 463-477 doi: 10.1007/s11708-023-0860-1

摘要： Solid state refrigeration based on caloric effect is regarded as a potential candidate for replacing vapor-compression refrigeration. Numerous methods have been proposed to optimize the refrigeration properties of caloric materials, of which single field tuning as a relatively simple way has been systemically studied. However, single field tuning with few tunable parameters usually obtains an excellent performance in one specific aspect at the cost of worsening the performance in other aspects, like attaining a large caloric effect with narrowing the transition temperature range and introducing hysteresis. Because of the shortcomings of the caloric effect driven by a single field, multifield tuning on multicaloric materials that have a coupling between different ferro-orders came into view. This review mainly focuses on recent studies that apply this method to improve the cooling performance of materials, consisting of enlarging caloric effects, reducing hysteresis losses, adjusting transition temperatures, and widening transition temperature spans, which indicate that further progress can be made in the application of this method. Furthermore, research on the sign of lattice and spin contributions to the magnetocaloric effect found new phonon evolution mechanisms, calling for more attention on multicaloric effects. Other progress including improving cyclability of FeRh alloys by introducing second phases and realizing a large reversible barocaloric effect by hybridizing carbon chains and inorganic groups is described in brief.

关键词： phase transition regulation     caloric effect     solid state refrigeration    

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Energy transition management towards a low-carbon world

《工程管理前沿（英文）》 2022年 第9卷 第3期   页码 499-503 doi: 10.1007/s42524-022-0201-9

关键词： energy transition     low-carbon technology     system modeling     transition path     emission reduction    

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Systems understanding of plant–pathogen interactions through genome-wide protein–protein interaction

Hong LI,Ziding ZHANG

《农业科学与工程前沿（英文）》 2016年 第3卷 第2期   页码 102-112 doi: 10.15302/J-FASE-2016100

摘要： Plants are frequently affected by pathogen infections. To effectively defend against such infections, two major modes of innate immunity have evolved in plants; pathogen-associated molecular pattern-triggered immunity and effector-triggered immunity. Although the molecular components as well as the corresponding pathways involved in these two processes have been identified, many aspects of the molecular mechanisms of the plant immune system remain elusive. Recently, the rapid development of omics techniques (e.g., genomics, proteomics and transcriptomics) has provided a great opportunity to explore plant–pathogen interactions from a systems perspective and studies on protein–protein interactions (PPIs) between plants and pathogens have been carried out and characterized at the network level. In this review, we introduce experimental and computational identification methods of PPIs, popular PPI network analysis approaches, and existing bioinformatics resources/tools related to PPIs. Then, we focus on reviewing the progress in genome-wide PPI networks related to plant–pathogen interactions, including pathogen-centric PPI networks, plant-centric PPI networks and interspecies PPI networks between plants and pathogens. We anticipate genome-wide PPI network analysis will provide a clearer understanding of plant–pathogen interactions and will offer some new opportunities for crop protection and improvement.

关键词： plant–pathogen interactions     systems biology     omics     plant immunity     protein–protein interaction     network    

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Smart oilfield development and transition of petroleum-based cities

He LIU, Xinhua MA

《工程管理前沿（英文）》 2019年 第6卷 第2期   页码 299-301 doi: 10.1007/s42524-019-0024-5

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Energy transition toward carbon-neutrality in China: Pathways, implications and uncertainties

《工程管理前沿（英文）》 2023年 第10卷 第2期   页码 358-372 doi: 10.1007/s42524-022-0202-8

摘要： Achieving carbon neutrality in China before 2060 requires a radical energy transition. To identify the possible transition pathways of China’s energy system, this study presents a scenario-based assessment using the Low Emissions Analysis Platform (LEAP) model. China could peak the carbon dioxide (CO2) emissions before 2030 with current policies, while carbon neutrality entails a reduction of 7.8 Gt CO2 in emissions in 2060 and requires an energy system overhaul. The assessment of the relationship between the energy transition and energy return on investment (EROI) reveals that energy transition may decrease the EROI, which would trigger increased energy investment, energy demand, and emissions. Uncertainty analysis further shows that the slow renewable energy integration policies and carbon capture and storage (CCS) penetration pace could hinder the emission mitigation, and the possible fossil fuel shortage calls for a much rapid proliferation of wind and solar power. Results suggest a continuation of the current preferential policies for renewables and further research and development on deployment of CCS. The results also indicate the need for backup capacities to enhance the energy security during the transition.

关键词： carbon neutrality     energy transition     uncertainty     EROI     LEAP    

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Policy entry points for facilitating a transition towards a low-carbon electricity future

《工程管理前沿（英文）》   页码 462-472 doi: 10.1007/s42524-022-0214-4

摘要： This study extends the ambit of the debate on electricity transition by specifically identifying possible policy entry points through which transformative and enduring changes can be made in the electricity and socio–economic systems to facilitate the transition process. Guided by the “essence” of the multi-level perspective — a prominent framework for the study of energy transition, four such entry points have been identified: 1) destabilising the dominant, fossil fuel-based electricity regime to create room for renewable technologies to break through; 2) reconfiguring the electricity regime, which encompasses technology, short-term operational practices and long-term planning processes, to improve flexibility for accommodating large outputs from variable renewable sources whilst maintaining supply security; 3) addressing the impact of coal power phase-out on coal mining regions in terms of economic development and jobs; and 4) facilitating a shift in transition governance towards a learning-based, reflexive process. Specific areas for policy interventions within each of these entry points have also been discussed in the paper.

关键词： electricity transition     multi-level perspective     policy entry points    

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Kinetic roughening transition and missing regime transition of melt crystallized polybutene-1 tetragonal

Motoi YAMASHITA

《化学科学与工程前沿（英文）》 2009年 第3卷 第2期   页码 125-134 doi: 10.1007/s11705-009-0001-3

摘要： The morphology and lateral growth rate of polybutene-1 ( -PB1) have been investigated for crystallization from the melt over a wide range of crystallization temperatures from 50 to 110°C. The morphology of -PB1 crystals is a rounded shape at crystallization temperatures lower than 85°C, while lamellar single crystals possess faceted morphology at higher crystallization temperatures. The kinetic roughening transition occurs around 85°C. The nucleation and growth mechanism for crystallization does not work below 85°C, since the growth face is rough. However, the growth rate shows the supercooling dependence derived from the nucleation and growth mechanism. The nucleation theory seems still to work even for rough surface growth. Possible mechanisms for the crystal growth of this polymer are discussed.

关键词： isotactic polybutene-1     tetragonal phase (form Ⅱ)     melt crystallization     growth rate     kinetic roughening     morphology    

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The role of protein kinase C epsilon in neural signal transduction and neurogenic diseases

null

《医学前沿（英文）》 2011年 第5卷 第1期   页码 70-76 doi: 10.1007/s11684-011-0119-9

摘要：

Protein kinase C epsilon (PKC ?) is one of major isoforms in novel PKC family. Although it has been extensively characterized in the past decade, the role of PKC ? in neuron is still not well understood. Advances in molecular biology have now removed significant barriers to the direct investigation of PKC ? functions in vivo, and PKC ? has been increasingly implicated in the neural biological functions and associated neurogenic diseases. Recent studies have provided important insights into the influence of PKC ? on cortical processing at both the single cell level and network level. These studies provide compelling evidence that PKC ? could regulate distinct aspects of neural signal transduction and suggest that the coordinated actions of a number of molecular signals contribute to the specification and differentiation of PKC ? signal pathway in the developing brain.

关键词： protein kinase C ?     signal transduction     neurogenic disease    

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Microwave-induced high-energy sites and targeted energy transition promising for efficient energy deployment

《能源前沿（英文）》 2022年 第16卷 第6期   页码 931-942 doi: 10.1007/s11708-021-0771-y

摘要： Diverse interactions between microwaves and irradiated media provide a solid foundation for identifying novel organization pathways for energy flow. In this study, a high-energy-site phenomenon and targeted-energy transition mechanism were identified in a particular microwave heating (MH) process. Intense discharges were observed when microwaves were imposed on irregularly sized SiC particles, producing tremendous heat that was 8-fold the amount generated in the discharge-free case. Energy efficiency was thereby greatly improved in the electricity-microwaves-effective heat transition. Meanwhile, the dispersed microwave field energy concentrated in small sites, where local temperatures could reach 2000°C– 4000°C, with the energy density reaching up to 4.0 × 105 W/kg. This can be called a high-energy site phenomenon which could induce further processes or reactions enhancement by coupling effects of heat, light, and plasma. The whole process, including microwave energy concentration and intense site-energy release, shapes a targeted-energy transition mechanism that can be optimized in a controlled manner through morphology design. In particular, the discharge intensity, frequency, and high-energy sites were strengthened through the fabrication of sharp nano/microstructures, conferring twice the energy efficiency of untreated metal wires. The microwave-induced high-energy sites and targeted energy transition provide an important pathway for high-efficiency energy deployment and may lead to promising applications.

关键词： microwave discharge     high-energy sites     targeted-energy transition     morphology design     energy efficiency    

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Special issue: Transition management of energy systems towards carbon neutrality

《工程管理前沿（英文）》 2022年 第9卷 第3期   页码 355-357 doi: 10.1007/s42524-022-0219-z

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Wheat gluten protein and its impacts on wheat processing quality

Wujun MA, Zitong YU, Maoyun SHE, Yun ZHAO, Shahidul ISLAM

《农业科学与工程前沿（英文）》 2019年 第6卷 第3期   页码 279-287 doi: 10.15302/J-FASE-2019267

摘要：

Before the advent of the wheat genomic era, a wide range of studies were conducted to understand the chemistry and functions of the wheat storage proteins, which are the major determinants of wheat flour the suitability of wheat flour for various end products, such as bread, noodles and cakes. Wheat grain protein is divided into gluten and non-gluten fractions and the wheat processing quality mainly depends on the gluten fractions. Gluten provides the unique extensibility and elasticity of dough that are essential for various wheat end products. Disulfide bonds are formed between cysteine residues, which is the chemical bases for the physical properties of dough. Based on the SDS-extractability, grain protein is divided into SDS-unextractable polymeric protein (UPP) and SDS-extractable polymeric protein. The percentage of UPP is positively related to the formation of disulfide bonds in the dough matrix. In the wheat genomic era, new glutenins with long repetitive central domains that contain a high number of consensus hexapeptide and nonapeptide motifs as well as high content of cysteine and glutamine residues should be targeted.

关键词： wheat gluten     consensus motifs     disulfide bonds     SDS-unextractable polymeric protein     glutenins     gliadins     processing quality     storage protein    

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Construction of sustainable, colored and multifunctional protein silk fabric using biomass riboflavin

《化学科学与工程前沿（英文）》 2023年 第17卷 第8期   页码 1131-1139 doi: 10.1007/s11705-023-2321-0

摘要： Riboflavin sodium phosphate has been confirmed as a promising biomass product derived from natural plants. In this paper, a novel method of dyeing and multifunctional modification of silk fabric by impregnation with riboflavin sodium phosphate was proposed, such that protein silk fabric can be endowed with bright yellow color and multi-functionality. The results of this paper confirmed that the pH and concentration of riboflavin sodium phosphate solution are critical factors for dyeing and multifunctional modification. Attractively, the photochromic performance was one of the most distinctive features of the modified silk fabric, and the dyed silk fabric turned into fluorescent green from original yellow under 365 nm ultraviolet lamp. Furthermore, the modified silk fabric exhibited good antibacterial properties with a high inhibition rate of 92% for Escherichia coli. Besides, the flame retardancy of silk fabric was significantly improved after modification. The damaged length of modified silk fabric with 40% owf riboflavin sodium phosphate was lower than 10.4 cm and passed the B1 classification. As revealed by the result of this paper, riboflavin sodium phosphate is sufficiently effective in serving as an eco-friendly multifunctional agent for strengthening the add-value of silk textiles.

关键词： biomass     riboflavin sodium phosphate     silk protein     multifunctional modification     flame retardant    

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On Social-technical Control of Safety Development in Economic Transition Background

Xue-qiu He,Song Li

《工程管理前沿（英文）》 2015年 第2卷 第3期   页码 234-240 doi: 10.15302/J-FEM-2015025

摘要： Industrial safety and economic growth, two vital and inextricable forces affecting national culture and development, are worthy of much more interest and attention than this article can hope to generate. Following economic growth, industrial safety remains as a high priority in this nation’s quest for sustainable development. At present, while China is on its way to transforming its economic structure and growth models, talk of industrial safety appears with special regularity, for it also is undergoing profound changes as an important facet of modern China.

关键词： safety development     economic growth     economic transition     social-technical control    

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标题 作者 时间 类型 操作

Effect of ligand chain length on hydrophobic charge induction chromatography revealed by molecular dynamics simulations

Lin ZHANG, Yan SUN

期刊论文

Epithelial-to-mesenchymal transition in cancer: complexity and opportunities

Yun Zhang, Robert A. Weinberg

期刊论文

Phase transition regulation and caloric effect

期刊论文

Energy transition management towards a low-carbon world

期刊论文

Systems understanding of plant–pathogen interactions through genome-wide protein–protein interaction

Hong LI,Ziding ZHANG

期刊论文

Smart oilfield development and transition of petroleum-based cities

He LIU, Xinhua MA

期刊论文

Energy transition toward carbon-neutrality in China: Pathways, implications and uncertainties

期刊论文

Policy entry points for facilitating a transition towards a low-carbon electricity future

期刊论文

Kinetic roughening transition and missing regime transition of melt crystallized polybutene-1 tetragonal

Motoi YAMASHITA

期刊论文

The role of protein kinase C epsilon in neural signal transduction and neurogenic diseases

null

期刊论文

Microwave-induced high-energy sites and targeted energy transition promising for efficient energy deployment

期刊论文

Special issue: Transition management of energy systems towards carbon neutrality

期刊论文

Wheat gluten protein and its impacts on wheat processing quality

Wujun MA, Zitong YU, Maoyun SHE, Yun ZHAO, Shahidul ISLAM

期刊论文

Construction of sustainable, colored and multifunctional protein silk fabric using biomass riboflavin

期刊论文

On Social-technical Control of Safety Development in Economic Transition Background

Xue-qiu He,Song Li

期刊论文